SCHEMBL7314092

SCHEMBL7314092

CSCCC(N)c1nnnn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
MAPK1 P28482 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
SLC1A3 P43003 4/20 0.44
SLC1A2 P43004 2/20 0.44
ALOX15 P16050 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GHSR Q92847 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7314086 1.00 PAX8 (0.48) PAX8ALDH1A1TSHRHRH3MAPK1
SCHEMBL1414083 0.75 GHSR (0.53) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL1414080 0.75 GHSR (0.53) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL4408776 0.75 ALDH1A1 (0.60) ALDH1A1TSHRHRH3MAPK1HRH4
Hydrochloric Acid SCHEMBL27173732 0.75 TSHR (0.43) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL10969069 0.74 ALDH1A1 (0.59) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL7309451 0.73 ALDH1A1 (0.58) ALDH1A1TSHRNPSR1LMNAMAPT
SCHEMBL7309462 0.73 ALDH1A1 (0.58) ALDH1A1TSHRNPSR1LMNAMAPT
SCHEMBL18387989 0.70 ALDH1A1 (0.57) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL4518149 0.69 MAPK1 (0.56) ALDH1A1TSHRHRH3MAPK1HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed